/home/pedro/work/mdcore/src/angle.h File Reference

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Data Structures
struct	angle
Defines
#define	angle_err_ok   0
#define	angle_err_null   -1
#define	angle_err_malloc   -2
Functions
int	angle_eval (struct angle *a, int N, struct engine *e, double *epot_out)
	Evaluate a list of angleed interactions.
int	angle_evalf (struct angle *a, int N, struct engine *e, FPTYPE *f, double *epot_out)
	Evaluate a list of angleed interactions.
int	angle_eval_mod (struct angle *a, int N, int nr_threads, int cid_mod, struct engine *e, double *epot_out)
int	angle_eval_div (struct angle *a, int N, int nr_threads, int cid_div, struct engine *e, double *epot_out)
	Evaluate a list of angleed interactions.
Variables
int	angle_err

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Define Documentation

#define angle_err_malloc   -2

#define angle_err_null   -1

#define angle_err_ok   0

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Function Documentation

int angle_eval	(	struct angle *	a,
		int	N,
		struct engine *	e,
		double *	epot_out
	)

Evaluate a list of angleed interactions.

Parameters:

b	Pointer to an array of angle.
N	Nr of angles in b.
e	Pointer to the engine in which these angles are evaluated.
epot_out	Pointer to a double in which to aggregate the potential energy.

Returns:

angle_err_ok or <0 on error (see angle_err)

int angle_eval_div	(	struct angle *	a,
		int	N,
		int	nr_threads,
		int	cid_div,
		struct engine *	e,
		double *	epot_out
	)

Evaluate a list of angleed interactions.

Parameters:

b	Pointer to an array of angle.
N	Nr of angles in b.
nr_threads	Number of computational threads.
cid_div	cell id modulus.
e	Pointer to the engine in which these angles are evaluated.
epot_out	Pointer to a double in which to aggregate the potential energy.

Returns:

angle_err_ok or <0 on error (see angle_err)

Computes only the interactions on particles inside cells c where c->id % nr_threads == cid_div.

int angle_eval_mod	(	struct angle *	a,
		int	N,
		int	nr_threads,
		int	cid_mod,
		struct engine *	e,
		double *	epot_out
	)

int angle_evalf	(	struct angle *	a,
		int	N,
		struct engine *	e,
		FPTYPE *	f,
		double *	epot_out
	)

Evaluate a list of angleed interactions.

Parameters:

b	Pointer to an array of angle.
N	Nr of angles in b.
e	Pointer to the engine in which these angles are evaluated.
epot_out	Pointer to a double in which to aggregate the potential energy.

This function differs from angle_eval in that the forces are added to the array f instead of directly in the particle data.

Returns:

angle_err_ok or <0 on error (see angle_err)

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Variable Documentation

int angle_err

ID of the last error

The ID of the last error.